| Entry |
|
|---|
| Name |
Cenerimod (JAN/USAN/INN) |
|---|
| Formula |
C25H31N3O5
|
|---|
| Exact mass |
453.2264
|
|---|
| Mol weight |
453.53
|
|---|
| Structure |
|
|---|
| Efficacy |
Immunomodulator |
|---|
| Comment |
Treatment of Systemic lupus erythematosus (SLE)
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Sphingolipid
S1PR1
D11283 Cenerimod (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8y C 10.6400 -15.2600
2 N5x N 10.6400 -16.6600
3 C8y C 11.8300 -17.3600
4 C8x C 13.0900 -16.6600
5 C8y C 13.0900 -15.2600
6 C8x C 11.8300 -14.5600
7 C8y C 14.2800 -14.5600
8 C1y C 9.4500 -14.5600
9 C1x C 9.3100 -13.1600
10 C1x C 7.9100 -12.8800
11 C1x C 7.2100 -14.0700
12 C1x C 8.1200 -15.1200
13 N5x N 15.4000 -15.3300
14 C8y C 16.5200 -14.5600
15 N5x N 16.1000 -13.2300
16 O2x O 14.7000 -13.2300
17 C8y C 17.7100 -15.2600
18 C8x C 17.7100 -16.6600
19 C8y C 18.9000 -17.3600
20 C8y C 20.1600 -16.6600
21 C8y C 20.1600 -15.2600
22 C8x C 18.9000 -14.5600
23 O2a O 11.8128 -18.7599
24 C1a C 10.6049 -19.4376
25 C1b C 18.8828 -18.7599
26 C1a C 17.6749 -19.4376
27 C1a C 21.3666 -14.5500
28 O2a O 21.3666 -17.3700
29 C1b C 22.5763 -16.6847
30 C1c C 23.7966 -17.4030
31 C1b C 25.0058 -16.7187
32 O1a O 26.2052 -17.4251
33 O1a O 23.7843 -18.8299
BOND 36
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 1 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 8 12 1
14 7 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 7 16 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 17 14 1
26 3 23 1
27 23 24 1
28 19 25 1
29 25 26 1
30 21 27 1
31 20 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 30 33 1 #Down
|
|---|
